2-amino-4-(4-bromophenyl)-6-pyridin-4-ylbenzene-1,3-dicarbonitrile

C19H11BrN4 — CID 3121096

IUPAC2-amino-4-(4-bromophenyl)-6-pyridin-4-ylbenzene-1,3-dicarbonitrile
SMILESN#Cc1c(-c2ccncc2)cc(-c2ccc(Br)cc2)c(C#N)c1N
InChIInChI=1S/C19H11BrN4/c20-14-3-1-12(2-4-14)15-9-16(13-5-7-24-8-6-13)18(11-22)19(23)17(15)10-21/h1-9H,23H2
InChIKeyFUOOEBROSVWLFY-UHFFFAOYSA-N
MW375.23 g/mol
LogP4.50
Rot. Bonds2

About 2-amino-4-(4-bromophenyl)-6-pyridin-4-ylbenzene-1,3-dicarbonitrile

2-amino-4-(4-bromophenyl)-6-pyridin-4-ylbenzene-1,3-dicarbonitrile (PubChem CID 3121096) has the molecular formula C19H11BrN4 and a molecular weight of 375.23 g/mol. Its IUPAC name is 2-amino-4-(4-bromophenyl)-6-pyridin-4-ylbenzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-(4-bromophenyl)-6-pyridin-4-ylbenzene-1,3-dicarbonitrile
PubChem CID3121096
Molecular FormulaC19H11BrN4
Molecular Weight375.23 g/mol
Exact Mass374.02
IUPAC Name2-amino-4-(4-bromophenyl)-6-pyridin-4-ylbenzene-1,3-dicarbonitrile
SMILESN#Cc1c(-c2ccncc2)cc(-c2ccc(Br)cc2)c(C#N)c1N
InChIInChI=1S/C19H11BrN4/c20-14-3-1-12(2-4-14)15-9-16(13-5-7-24-8-6-13)18(11-22)19(23)17(15)10-21/h1-9H,23H2
InChIKeyFUOOEBROSVWLFY-UHFFFAOYSA-N
XLogP4.50
TPSA86.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.23
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-bromophenyl)-6-pyridin-4-ylbenzene-1,3-dicarbonitrile?
The IUPAC name of 2-amino-4-(4-bromophenyl)-6-pyridin-4-ylbenzene-1,3-dicarbonitrile (CID 3121096) is 2-amino-4-(4-bromophenyl)-6-pyridin-4-ylbenzene-1,3-dicarbonitrile.
What is the SMILES notation for 2-amino-4-(4-bromophenyl)-6-pyridin-4-ylbenzene-1,3-dicarbonitrile?
The canonical SMILES for 2-amino-4-(4-bromophenyl)-6-pyridin-4-ylbenzene-1,3-dicarbonitrile is N#Cc1c(-c2ccncc2)cc(-c2ccc(Br)cc2)c(C#N)c1N.
What is the InChIKey of 2-amino-4-(4-bromophenyl)-6-pyridin-4-ylbenzene-1,3-dicarbonitrile?
The InChIKey is FUOOEBROSVWLFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11BrN4/c20-14-3-1-12(2-4-14)15-9-16(13-5-7-24-8-6-13)18(11-22)19(23)17(15)10-21/h1-9H,23H2.
What are the key properties of 2-amino-4-(4-bromophenyl)-6-pyridin-4-ylbenzene-1,3-dicarbonitrile?
2-amino-4-(4-bromophenyl)-6-pyridin-4-ylbenzene-1,3-dicarbonitrile has a molecular weight of 375.23 g/mol, XLogP of 4.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-bromophenyl)-6-pyridin-4-ylbenzene-1,3-dicarbonitrile is sourced from PubChem (CID 3121096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).